phenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone

C23H15F3N2O — CID 167433183

IUPACphenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone
SMILESO=C(c1ccccc1)c1ncc(-c2ccccc2)n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H15F3N2O/c24-23(25,26)18-11-13-19(14-12-18)28-20(16-7-3-1-4-8-16)15-27-22(28)21(29)17-9-5-2-6-10-17/h1-15H
InChIKeyIRZODNSEFKQRTE-UHFFFAOYSA-N
MW392.38 g/mol
LogP5.79
Rot. Bonds4

About phenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone

phenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone (PubChem CID 167433183) has the molecular formula C23H15F3N2O and a molecular weight of 392.38 g/mol. Its IUPAC name is phenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone
PubChem CID167433183
Molecular FormulaC23H15F3N2O
Molecular Weight392.38 g/mol
Exact Mass392.11
IUPAC Namephenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone
SMILESO=C(c1ccccc1)c1ncc(-c2ccccc2)n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H15F3N2O/c24-23(25,26)18-11-13-19(14-12-18)28-20(16-7-3-1-4-8-16)15-27-22(28)21(29)17-9-5-2-6-10-17/h1-15H
InChIKeyIRZODNSEFKQRTE-UHFFFAOYSA-N
XLogP5.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.38
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone?
The IUPAC name of phenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone (CID 167433183) is phenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone.
What is the SMILES notation for phenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone?
The canonical SMILES for phenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone is O=C(c1ccccc1)c1ncc(-c2ccccc2)n1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of phenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone?
The InChIKey is IRZODNSEFKQRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O/c24-23(25,26)18-11-13-19(14-12-18)28-20(16-7-3-1-4-8-16)15-27-22(28)21(29)17-9-5-2-6-10-17/h1-15H.
What are the key properties of phenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone?
phenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone has a molecular weight of 392.38 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methanone is sourced from PubChem (CID 167433183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).